Structure of PDB 1esw Chain A Binding Site BS01

Receptor Information
>1esw Chain A (length=500) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELPRAFGLLLHPTSLPGPYGVGVLGREARDFLRFLKEAGGRYWQVLPLG
PTGYGDSPYQSFSAFAGNPYLIDLRPLAERGYVRLEDPGFPQGRVDYGLL
YAWKWPALKEAFRGFKEKASPEEREAFAAFREREAWWLEDYALFMALKGA
HGGLPWNRWPLPLRKREEKALREAKSALAEEVAFHAFTQWLFFRQWGALK
AEAEALGIRIIGDMPIFVAEDSAEVWAHPEWFHLDEEGRPTVVAGVPPDY
FSETGQRWGNPLYRWDVLEREGFSFWIRRLEKALELFHLVRIDHFRGFEA
YWEIPASCPTAVEGRWVKAPGEKLFQKIQEVFGEVPVLAEDLGVITPEVE
ALRDRFGLPGMKVLQFAFDDGMENPFLPHNYPAHGRVVVYTGTHDNDTTL
GWYRTATPHEKAFMARYLADWGITFREEEEVPWALMHLGMKSVARLAVYP
VQDVLALGSEARMNYPGRPSGNWAWRLLPGELSPEHGARLRAMAEATERL
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain1esw Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1esw X-ray structure of acarbose bound to amylomaltase from Thermus aquaticus. Implications for the synthesis of large cyclic glucans.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q256 W258 H294 E340
Binding residue
(residue number reindexed from 1)		Q256 W258 H294 E340
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D293 E340 D395
Catalytic site (residue number reindexed from 1) D293 E340 D395
Enzyme Commision number 2.4.1.25: 4-alpha-glucanotransferase.
Gene Ontology
Molecular Function
GO:0004134 4-alpha-glucanotransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1esw, PDBe:1esw, PDBj:1esw
PDBsum1esw
PubMed11082203
UniProtO87172|MALQ_THETH 4-alpha-glucanotransferase (Gene Name=malQ)

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